[(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-17-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 3-(dimethylamino)propanoate

Systemtic Name: [(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-17-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 3-(dimethylamino)propanoate Openeye Name: [(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 3-(dimethylamino)propanoate CAS Name: 3-(dimethylamino)propanoic acid [(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 3-(dimethylamino)propanoate Traditional Name: 3-(dimethylamino)propionic acid [(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester Formula: C25H33NO3 MolecularWeight: 395.53442

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC(=O)CCN(C)C

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC(=O)CCN(C)C

InChI

InChI=1S/C25H33NO3/c1-5-25(28)14-11-22-21-8-6-17-16-18(29-23(27)12-15-26(3)4)7-9-19(17)20(21)10-13-24(22,25)2/h1,7,9,16,20-22,28H,6,8,10-15H2,2-4H3/t20-,21-,22+,24+,25+/m1/s1